5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

C16H16ClNO4S — CID 51183619

IUPAC5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO4S/c1-16(8-9-23(20,21)10-16)18-15(19)14-7-6-13(22-14)11-4-2-3-5-12(11)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyBKGYNDWZBLIKOL-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.91
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 51183619) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID51183619
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO4S/c1-16(8-9-23(20,21)10-16)18-15(19)14-7-6-13(22-14)11-4-2-3-5-12(11)17/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyBKGYNDWZBLIKOL-UHFFFAOYSA-N
XLogP2.91
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183630
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
3-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2-oxazole-5-carboxamide
CID 46971408
3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 51924106
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
methyl 3-[3-(2-chlorophenyl)-6-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]indazol-1-yl]benzoate
CID 146230610
3-(2-chlorophenyl)-1-(5-fluoropyrimidin-2-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indole-6-carboxamide
CID 156600955
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 51183619) is 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is CC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCS(=O)(=O)C1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is BKGYNDWZBLIKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-16(8-9-23(20,21)10-16)18-15(19)14-7-6-13(22-14)11-4-2-3-5-12(11)17/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 51183619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).